Glycoside
GD006831
Name:
NoneFormula:
C21H24O6N4SSmiles:
COc1ccc(N=Nc2c(C)c(C#N)c(=S)n(C3OC(CO)C(O)C(O)C3O)c2C)cc1Aglycone:
COc1ccc(N=Nc2c(C)[nH]c(=S)c(C#N)c2C)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 460.51 | Num_heavy_atoms: | 32 |
| TPSA: | 152.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD05612
Formula: C15H14ON4S
Smiles:
COc1ccc(N=Nc2c(C)[nH]c(=S)c(C#N)c2C)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 4.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.37 | Num_heavy_atoms: | 21 |
| TPSA: | 73.53 | NumAromaticRings: | 2 |
